N-benzyl-2-[1-(4-chlorobenzoyl)piperidin-4-yl]-N-[2-(dimethylamino)ethyl]-6-methylpyridine-3-carboxamide

C30H35ClN4O2 — CID 46068380

IUPACN-benzyl-2-[1-(4-chlorobenzoyl)piperidin-4-yl]-N-[2-(dimethylamino)ethyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(CCN(C)C)Cc2ccccc2)c(C2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C30H35ClN4O2/c1-22-9-14-27(30(37)35(20-19-33(2)3)21-23-7-5-4-6-8-23)28(32-22)24-15-17-34(18-16-24)29(36)25-10-12-26(31)13-11-25/h4-14,24H,15-21H2,1-3H3
InChIKeyUQJJXYIKUKFGTR-UHFFFAOYSA-N
MW519.09 g/mol
LogP5.27
Rot. Bonds8

About N-benzyl-2-[1-(4-chlorobenzoyl)piperidin-4-yl]-N-[2-(dimethylamino)ethyl]-6-methylpyridine-3-carboxamide

N-benzyl-2-[1-(4-chlorobenzoyl)piperidin-4-yl]-N-[2-(dimethylamino)ethyl]-6-methylpyridine-3-carboxamide (PubChem CID 46068380) has the molecular formula C30H35ClN4O2 and a molecular weight of 519.09 g/mol. Its IUPAC name is N-benzyl-2-[1-(4-chlorobenzoyl)piperidin-4-yl]-N-[2-(dimethylamino)ethyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[1-(4-chlorobenzoyl)piperidin-4-yl]-N-[2-(dimethylamino)ethyl]-6-methylpyridine-3-carboxamide
PubChem CID46068380
Molecular FormulaC30H35ClN4O2
Molecular Weight519.09 g/mol
Exact Mass518.24
IUPAC NameN-benzyl-2-[1-(4-chlorobenzoyl)piperidin-4-yl]-N-[2-(dimethylamino)ethyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(CCN(C)C)Cc2ccccc2)c(C2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C30H35ClN4O2/c1-22-9-14-27(30(37)35(20-19-33(2)3)21-23-7-5-4-6-8-23)28(32-22)24-15-17-34(18-16-24)29(36)25-10-12-26(31)13-11-25/h4-14,24H,15-21H2,1-3H3
InChIKeyUQJJXYIKUKFGTR-UHFFFAOYSA-N
XLogP5.27
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.09
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-[2-(dimethylamino)ethyl]-6-methyl-2-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 42867505
N-benzyl-2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide
CID 42852096
(4-chlorophenyl)-[4-[6-methyl-3-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 42852078
N-benzyl-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide
CID 42852094
N-benzyl-1-(4-chlorobenzoyl)-N-methylpiperidine-4-carboxamide
CID 17119215
2-(1-benzoylpiperidin-4-yl)-6-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 46044678
(4-methylphenyl)-[4-[6-methyl-3-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 46044756
2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-methyl-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 46069186
1-[4-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 42868116
2-[1-(2-methoxybenzoyl)piperidin-4-yl]-N,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide
CID 42852107
2-[1-(4-bromobenzoyl)piperidin-4-yl]-6-methyl-N-(1-phenylethyl)pyridine-3-carboxamide
CID 42867125
2-[1-(3-chlorobenzoyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 42868016

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[1-(4-chlorobenzoyl)piperidin-4-yl]-N-[2-(dimethylamino)ethyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-benzyl-2-[1-(4-chlorobenzoyl)piperidin-4-yl]-N-[2-(dimethylamino)ethyl]-6-methylpyridine-3-carboxamide (CID 46068380) is N-benzyl-2-[1-(4-chlorobenzoyl)piperidin-4-yl]-N-[2-(dimethylamino)ethyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-2-[1-(4-chlorobenzoyl)piperidin-4-yl]-N-[2-(dimethylamino)ethyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-benzyl-2-[1-(4-chlorobenzoyl)piperidin-4-yl]-N-[2-(dimethylamino)ethyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)N(CCN(C)C)Cc2ccccc2)c(C2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1.
What is the InChIKey of N-benzyl-2-[1-(4-chlorobenzoyl)piperidin-4-yl]-N-[2-(dimethylamino)ethyl]-6-methylpyridine-3-carboxamide?
The InChIKey is UQJJXYIKUKFGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35ClN4O2/c1-22-9-14-27(30(37)35(20-19-33(2)3)21-23-7-5-4-6-8-23)28(32-22)24-15-17-34(18-16-24)29(36)25-10-12-26(31)13-11-25/h4-14,24H,15-21H2,1-3H3.
What are the key properties of N-benzyl-2-[1-(4-chlorobenzoyl)piperidin-4-yl]-N-[2-(dimethylamino)ethyl]-6-methylpyridine-3-carboxamide?
N-benzyl-2-[1-(4-chlorobenzoyl)piperidin-4-yl]-N-[2-(dimethylamino)ethyl]-6-methylpyridine-3-carboxamide has a molecular weight of 519.09 g/mol, XLogP of 5.27, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[1-(4-chlorobenzoyl)piperidin-4-yl]-N-[2-(dimethylamino)ethyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 46068380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).